#define ISTEP 32
#define JSTEP 16
#define PAD 3

typedef struct atom_in_t{
  double x[3];
  int type;
  int t;
}atom_in_t;

typedef struct force_t{
  double f[3];
  double t;
}force_t;

typedef struct lock {
  int req, cnt;
} lock_t;

typedef struct compute_param{
  force_t *force_tmp;
  atom_in_t *atom_in;
  lock_t *locks;
  int proc;
  int nlocal;
  double *x;
  double *f;
  int *type;
  int nall;
  int *neighbors;
  int *numneigh;
  int maxneighs;
  double *sigma6;
  double *epsilon;
  double *cutforcesq;
  int EVFLAG;
  int ntypes;
  double eng_vdwl;
  double virial;
  
}compute_param;


